Drug Design Workshop: Molecular Docking with AutoDock (DDW-2022-1)

Session

Lecture Session

LS

12 Feb 2022, 09:00

Conveners

Lecture Session: Session 1

• Venkatesan Jayaprakash (Birla Institute of Technology, Mesra)

Lecture Session: Session 3

• There are no conveners in this block

Description

Theoretical background for the hands-on session will be covered during this session

1. Introduction to Structure Based Drug Design (SBDD)

Prof. Venkatesan Jayaprakash (Birla Institute of Technology, Mesra)

12/02/2022, 09:00

This lecture will cover in-silico virtual screening in general and with Structure Bases Drug Design. How this is helpful in Drug Discovery Development Pipeline?

2. Lecture by Dr. Murugesan Sankaran

Murugesan Sankaran (Birla Institute of Technology and Sciences, Pilani)

12/02/2022, 10:00

A case study

3. Where and how to start?

Prof. Venkatesan Jayaprakash (Birla Institute of Technology, Mesra)

12/02/2022, 11:15

This lecture is designed to provide information on how to get start with practicing of molecular docking. Hardware and Software requirements, list of websites useful for the preparation for docking and a general molecular docking protocol.

5. Lecture by Dr. Senthilraja A

Senthilraja A (Indian Institute of Technology (BHU), Varanasi)

13/02/2022, 09:00

A case study